3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid

C11H11NO2S2 — CID 116889223

IUPAC3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H11NO2S2/c1-7(5-10(13)14)8-6-16-11(12-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeySLTIEFVOTXIXAF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.45
Rot. Bonds4

About 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid

3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid (PubChem CID 116889223) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid
PubChem CID116889223
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H11NO2S2/c1-7(5-10(13)14)8-6-16-11(12-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeySLTIEFVOTXIXAF-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-ol
CID 115089100
3-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]butanoic acid
CID 116889231
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889238
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
(2S)-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanedioic acid
CID 112733132
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole
CID 58852697
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579077

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid?
The IUPAC name of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid (CID 116889223) is 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid.
What is the SMILES notation for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid?
The canonical SMILES for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid is CC(CC(=O)O)c1csc(-c2cccs2)n1.
What is the InChIKey of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid?
The InChIKey is SLTIEFVOTXIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-7(5-10(13)14)8-6-16-11(12-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,13,14).
What are the key properties of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid?
3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid has a molecular weight of 253.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid is sourced from PubChem (CID 116889223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).